## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
Id |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
1 |
|
E |
136 |
34 |
12136 |
◊ |
A |
x,y,z |
1_555 |
169 |
47 |
17601 |
1502.9 |
-20.1 |
0.117 |
20 |
4 |
0 |
0.409 |
2 |
2 |
|
D |
140 |
38 |
16849 |
◊ |
C |
x,y,z |
1_555 |
141 |
36 |
17675 |
1336.0 |
-14.4 |
0.112 |
12 |
8 |
0 |
0.263 |
3 |
|
B |
137 |
35 |
16859 |
◊ |
A |
x,y,z |
1_555 |
144 |
34 |
17601 |
1334.0 |
-14.3 |
0.091 |
14 |
9 |
0 |
0.263 |
Average: |
1335.0 |
-14.3 |
0.101 |
13 |
9 |
0 |
0.263 |
3 |
4 |
|
B |
92 |
27 |
16859 |
◊ |
C |
x,y,z |
1_555 |
108 |
31 |
17675 |
865.3 |
-9.8 |
0.166 |
13 |
2 |
0 |
0.214 |
4 |
5 |
|
E |
79 |
16 |
12136 |
◊ |
C |
x,y,z |
1_555 |
85 |
24 |
17675 |
776.2 |
-10.7 |
0.167 |
6 |
4 |
0 |
0.264 |
5 |
6 |
|
F |
83 |
24 |
16605 |
◊ |
D |
-x+2,y-1/2,-z+1/2 |
3_745 |
87 |
24 |
16849 |
753.1 |
3.7 |
0.810 |
10 |
3 |
0 |
0.000 |
6 |
7 |
|
F |
76 |
23 |
16605 |
◊ |
A |
x,y,z |
1_555 |
88 |
22 |
17601 |
745.5 |
-0.6 |
0.595 |
6 |
5 |
0 |
0.000 |
7 |
8 |
|
E |
56 |
16 |
12136 |
◊ |
D |
x,y,z |
1_555 |
82 |
23 |
16849 |
688.0 |
-5.1 |
0.465 |
4 |
6 |
0 |
0.074 |
8 |
9 |
|
E |
62 |
15 |
12136 |
◊ |
B |
x,y,z |
1_555 |
83 |
22 |
16859 |
649.0 |
-2.6 |
0.629 |
3 |
4 |
0 |
0.041 |
9 |
10 |
|
E |
48 |
12 |
12136 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
64 |
19 |
17675 |
514.6 |
-3.6 |
0.509 |
5 |
2 |
0 |
0.000 |
10 |
11 |
|
F |
46 |
13 |
16605 |
◊ |
B |
x,y,z |
1_555 |
55 |
13 |
16859 |
461.5 |
-0.8 |
0.558 |
4 |
0 |
0 |
0.000 |
11 |
12 |
|
[ACP]F:402 |
31 |
1 |
626 |
f |
F |
x,y,z |
1_555 |
52 |
24 |
16605 |
417.0 |
-1.0 |
0.594 |
10 |
0 |
0 |
0.037 |
12 |
13 |
|
[GTP]C:501 |
32 |
1 |
630 |
f |
C |
x,y,z |
1_555 |
66 |
29 |
17675 |
410.9 |
-2.8 |
0.581 |
20 |
0 |
0 |
0.221 |
14 |
|
[GTP]A:501 |
32 |
1 |
630 |
f |
A |
x,y,z |
1_555 |
66 |
30 |
17601 |
406.7 |
-2.9 |
0.560 |
19 |
0 |
0 |
0.221 |
Average: |
408.8 |
-2.8 |
0.570 |
20 |
0 |
0 |
0.221 |
13 |
15 |
|
[GDP]B:501 |
27 |
1 |
568 |
f |
B |
x,y,z |
1_555 |
64 |
28 |
16859 |
405.7 |
-6.7 |
0.569 |
13 |
0 |
0 |
0.169 |
16 |
|
[GDP]D:501 |
28 |
1 |
567 |
f |
D |
x,y,z |
1_555 |
62 |
28 |
16849 |
398.9 |
-6.9 |
0.566 |
14 |
0 |
0 |
0.169 |
Average: |
402.3 |
-6.8 |
0.567 |
14 |
0 |
0 |
0.169 |
14 |
17 |
|
A |
38 |
12 |
17601 |
◊ |
C |
-x+2,y-1/2,-z+1/2 |
3_745 |
52 |
13 |
17675 |
351.9 |
-1.4 |
0.580 |
5 |
1 |
0 |
0.000 |
15 |
18 |
|
C |
35 |
12 |
17675 |
◊ |
A |
-x+3/2,-y,z-1/2 |
2_654 |
36 |
13 |
17601 |
316.7 |
-1.3 |
0.495 |
3 |
0 |
0 |
0.000 |
16 |
19 |
|
C |
30 |
10 |
17675 |
◊ |
E |
-x+3/2,-y,z-1/2 |
2_654 |
26 |
5 |
12136 |
237.8 |
-1.0 |
0.541 |
2 |
0 |
0 |
0.000 |
17 |
20 |
|
[MES]B:504 |
12 |
1 |
335 |
f |
B |
x,y,z |
1_555 |
31 |
11 |
16859 |
220.4 |
6.5 |
0.407 |
0 |
0 |
0 |
0.000 |
18 |
21 |
|
[MES]B:503 |
12 |
1 |
333 |
◊ |
B |
x,y,z |
1_555 |
32 |
12 |
16859 |
199.4 |
7.8 |
0.413 |
0 |
0 |
0 |
0.000 |
19 |
22 |
|
B |
31 |
10 |
16859 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
26 |
6 |
17675 |
189.6 |
-1.3 |
0.457 |
2 |
1 |
0 |
0.000 |
20 |
23 |
|
D |
20 |
8 |
16849 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
16 |
5 |
16859 |
163.3 |
0.4 |
0.686 |
1 |
1 |
0 |
0.000 |
21 |
24 |
|
E |
17 |
6 |
12136 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
10 |
4 |
16859 |
137.5 |
2.1 |
0.826 |
3 |
4 |
0 |
0.000 |
22 |
25 |
|
E |
13 |
7 |
12136 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
16 |
6 |
16849 |
136.3 |
2.4 |
0.894 |
2 |
3 |
0 |
0.000 |
23 |
26 |
|
A |
11 |
3 |
17601 |
◊ |
F |
-x+3/2,-y,z-1/2 |
2_654 |
10 |
2 |
16605 |
105.2 |
0.6 |
0.514 |
0 |
0 |
0 |
0.000 |
24 |
27 |
|
[CL]C:504 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
18 |
7 |
17675 |
80.8 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.240 |
25 |
28 |
|
[CL]A:504 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
17601 |
63.1 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.131 |
26 |
29 |
|
[GTP]C:501 |
7 |
1 |
630 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
16849 |
48.4 |
0.9 |
0.782 |
1 |
0 |
0 |
0.000 |
30 |
|
[GTP]A:501 |
6 |
1 |
630 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
16859 |
46.1 |
1.0 |
0.789 |
1 |
0 |
0 |
0.000 |
Average: |
47.3 |
1.0 |
0.786 |
1 |
0 |
0 |
0.000 |
27 |
31 |
|
[MG]F:401 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
8 |
6 |
16605 |
48.1 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.038 |
28 |
32 |
|
[MG]C:502 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
17675 |
44.3 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.115 |
33 |
|
[MG]A:502 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
17601 |
43.3 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.115 |
Average: |
43.8 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.115 |
29 |
34 |
|
[CA]B:505 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
16859 |
43.8 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.093 |
35 |
|
[CA]D:502 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
4 |
2 |
16849 |
37.9 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.093 |
Average: |
40.8 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.093 |
30 |
36 |
|
[CA]A:503 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
4 |
4 |
17601 |
42.8 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.176 |
31 |
37 |
|
C |
11 |
6 |
17675 |
x |
C |
x-1/2,-y+1/2,-z |
4_455 |
5 |
3 |
17675 |
35.5 |
-1.1 |
0.244 |
0 |
0 |
0 |
0.000 |
32 |
38 |
|
B |
5 |
3 |
16859 |
◊ |
E |
-x+3/2,-y,z-1/2 |
2_654 |
5 |
3 |
12136 |
34.3 |
-0.6 |
0.392 |
0 |
0 |
0 |
0.000 |
33 |
39 |
|
[MG]A:502 |
1 |
1 |
98 |
f |
[GTP]A:501 |
x,y,z |
1_555 |
4 |
1 |
630 |
32.5 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.074 |
40 |
|
[MG]C:502 |
1 |
1 |
98 |
f |
[GTP]C:501 |
x,y,z |
1_555 |
4 |
1 |
630 |
28.1 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.074 |
Average: |
30.3 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.074 |
34 |
41 |
|
[ACP]F:402 |
4 |
1 |
626 |
f |
[MG]F:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.1 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.026 |
35 |
42 |
|
[CA]B:502 |
1 |
1 |
85 |
f |
C |
x-1/2,-y+1/2,-z |
4_455 |
7 |
5 |
17675 |
29.1 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.087 |
36 |
43 |
|
[MES]B:503 |
5 |
1 |
333 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
17601 |
28.3 |
0.2 |
0.035 |
0 |
0 |
0 |
0.000 |
37 |
44 |
|
[GDP]B:501 |
6 |
1 |
568 |
f |
[CA]B:505 |
x,y,z |
1_555 |
1 |
1 |
85 |
26.7 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.074 |
45 |
|
[GDP]D:501 |
5 |
1 |
567 |
f |
[CA]D:502 |
x,y,z |
1_555 |
1 |
1 |
85 |
26.0 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.074 |
Average: |
26.3 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.074 |
38 |
46 |
|
[CA]B:502 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
16859 |
26.3 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.000 |
39 |
47 |
|
A |
4 |
2 |
17601 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
3 |
2 |
16849 |
17.6 |
0.1 |
0.540 |
0 |
0 |
0 |
0.000 |
40 |
48 |
|
[MG]A:502 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
16859 |
12.8 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.007 |
49 |
|
[MG]C:502 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
16849 |
7.8 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.007 |
Average: |
10.3 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.007 |
41 |
50 |
|
[CA]B:505 |
1 |
1 |
85 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
17675 |
6.8 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.013 |
42 |
51 |
|
[MES]B:503 |
2 |
1 |
333 |
f |
E |
x,y,z |
1_555 |
1 |
1 |
12136 |
2.7 |
0.0 |
0.166 |
0 |
0 |
0 |
0.000 |
|